3-chloranyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C23H25ClN3O3S+ MolecularWeight: 458.9809

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H24ClN3O3S/c24-20-17-7-2-4-9-19(17)31-21(20)23(29)26-18-8-3-1-6-16(18)22(28)25-10-5-11-27-12-14-30-15-13-27/h1-4,6-9H,5,10-15H2,(H,25,28)(H,26,29)/p+1